SCHEMBL7442575

SCHEMBL7442575

COC(=O)C=Cc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.56
EPHX2 P34913 1/20 0.48
TTR P02766 1/20 0.47
APP P05067 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TYR P14679 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
PTPN1 P18031 1/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HTR1A P08908 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7442572 1.00 TNFRSF1A (0.56) TNFRSF1AEPHX2TTRAPPCA12
SCHEMBL5712559 0.85 GABBR2 (0.64) TNFRSF1AEPHX2TTRAPPCA12
SCHEMBL5712558 0.85 GABBR2 (0.64) TNFRSF1AEPHX2TTRAPPCA12
SCHEMBL29192602 0.79 APP (0.56) TNFRSF1AAPPHTR1AHTR2C
SCHEMBL2433926 0.78 ALDH1A1 (0.72) TNFRSF1AEPHX2CA1CA2KDM4E
SCHEMBL2433925 0.78 ALDH1A1 (0.72) TNFRSF1AEPHX2CA1CA2KDM4E
SCHEMBL6916935 0.78 TNFRSF1A (0.50) TNFRSF1ACA1CA2GABBR2GABBR1
SCHEMBL5576304 0.78 TNFRSF1A (0.80) TNFRSF1ACA1CA2ALDH1A1SMN1; SMN2
SCHEMBL7065034 0.78 TNFRSF1A (0.50) TNFRSF1ACA1CA2GABBR2GABBR1
SCHEMBL7060721 0.77 TNFRSF1A (0.49) TNFRSF1ACA1CA2GABBR2GABBR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526535-B1 CYCLIC HYDROXAMIC ACIDS AND THEIR USE ORION YHTYMAE OY (FI) 1995-09-27 EP disclosed
US-5356923-A 1-hydroxy-4(3-cyclopentyloxy-4-methoxyphenyl)-2-pyrrolidone and anti-hypertensive use thereof ORION-YHTYMA OY (FI) 1994-10-18 US disclosed
EP-0526535-A1 CYCLIC HYDROXAMIC ACIDS AND THEIR USE. ORION YHTYMAE OY (FI) 1993-02-10 EP disclosed
WO-1991016303-A1 CYCLIC HYDROXAMIC ACIDS AND THEIR USE Orion-Yhtymä Oy (FI) 1991-10-31 WO disclosed